HoF Errors: < 2 kcal/mol   < 5 kcal/mol   < 10 kcal/mol   < 20 kcal/mol   < 50 kcal/mol.   Geometries: 0: good, 100: bad

Comparison of Structures of 69 Silver-containing Solids predicted using PM7 with X-Ray

(All solids - Periodic Table - Home - PM7 Accuracy - Manual)

Average unsigned error in PM7 HoF: 30.04 kcal/mol, for 10 solids
Average unsigned error in PM6 HoF: 556.73 kcal/mol, for 10 solids

     #     GUI   Heat of formation (Kcal/formula unit) Geometry        Species
                    Ref.        PM7        PM6        PM7    PM6 
  1413   (JSmol)     0.0         7.5       19.9       78.3   95.9  Silver (Ag) (ICSD 64706)
  1414   (JSmol)                32.7       64.4       85.2   85.7  Silver cyanide (AgCN)
  1415   (JSmol)                47.7     -152.3       49.5   88.4  Cyano-(ethane-1,2-diamine)-silver(i) (FILSEZ)
  1416   (JSmol)                40.0     -121.9       53.0   89.0  Cyano-bis(piperidine-N)-silver(i) (JEYDIB)
  1417   (JSmol)               134.7      120.3       25.5   38.3  Bis(cyanido)(ethane-1,2-diamine-N,N')silver(ii) (SILKEE)
  1418   (JSmol)                 3.7     -297.6       56.1   90.6  bis(5,7-Dimethyl-1,8-naphthyridin-2(1H)-one)-di-silver(i) (HEVXOW)
  1419   (JSmol)              -107.2     -386.6       94.2   88.0  bis(mu-2-Benzoato-O,O')-di-silver(i) (BZOAGA)
  1420   (JSmol)               -27.7     -501.5       76.3   74.5  bis(mu-2-6-Isopropyltropolonato-O,O')-di-silver(i) (IPACEH)
  1421   (JSmol)               -43.4     -433.4       35.9   94.8  (mu-2-Phthalato-O,O')-diammine-di-silver(i) (RABVUL)
  1422   (JSmol)               -15.9     -625.2       61.9   96.0  bis(mu-2-Aminomethylnitrosolate)-di-silver(i) (KUXWAB)
  1423   (JSmol)              -159.7     -400.6       94.0   92.0  bis(mu-2-2-Hydroxybenzoato-O,O')-di-silver(i) (KAMTOH03)
  1424   (JSmol)   -29.7        -7.0     -792.8       84.3   91.7  Silver nitrate (AgNO3)
  1425   (JSmol)                 1.0       19.0       70.9   51.7  cis,cis,cis-1,4,7-Cyclononatriene silver nitrate complex (CNTAGN10)
  1426   (JSmol)                20.8     -535.7       39.9   85.0  Silver nitrate-pyrazine complex (AGPYRZ)
  1427   (JSmol)                 5.6     -360.9       33.7   70.3  Ammine-(2,2'-bipyridine)-silver(i) nitrate (KUQPOC)
  1428   (JSmol)                94.4     -251.3       13.8   65.1  (Nitrato-O)-bis(pyridine-4-carbonitrile-N)-silver(i) (FOHJIV)
  1429   (JSmol)              -108.3     -578.5       67.4   87.8  bis(Dihydroxybenzoato)-di-silver(i) (KAMTUN)
  1430   (JSmol)              -120.6     -704.6       86.7   91.3  bis-(mu-2-2,6-Dihydroxybenzoato)-silver(i) (LAYCOD)
  1431   (JSmol)               -51.9     -453.4       24.6   68.5  (6-Methyl-2-pyridinecarboxylato-N,O)-(6-methyl-2-pyridinecarboxylic acid-N,O)-silver(i) (UBEGOX)
  1432   (JSmol)              -117.4     -564.2       50.3   87.7  bis(mu-2-Triethyl betaine)-bis((nitrato)-silver(i)) (KUDKOJ)
  1433   (JSmol)               -81.9     -447.8       50.0   64.6  bis(3-Hydroxypyridine-N)-(nitrato-O,O')-silver(i) (MAPNEX)
  1434   (JSmol)              -240.5     -375.2       67.6   85.4  Dinitrato-(2,2'-bipyridyl) silver(ii) (NDPYAG)
  1435   (JSmol)              -334.3     -752.8       12.7   74.2  bis(Pyridine-2,6-dicarboxylato)-silver(ii) monohydrate (PYRCAG)
  1436   (JSmol)   -48.9        10.0     -238.3       92.5   91.1  Silver(i) fluoride (AgF)
  1437   (JSmol)              -196.6     -984.1       74.3   92.3  bis(mu-2-Trifluoroacetato-O,O')-di-silver (AGTFAC01)
  1438   (JSmol)              -162.1     -576.5       44.3   85.1  (2,2'-Bipyridine-N,N')-(trifluoroacetato-O)-silver(i) (MAYBAQ)
  1439   (JSmol)              -271.9     -584.5       51.6   84.3  bis(Cyclo-octadiene)-silver(i) tetrafluoroborate (OCDAGB)
  1440   (JSmol)              -270.4    -1214.9       46.2   97.1  tetrakis((mu-2-trans-Perfluoro-1-methyl-1-propenyl)-silver) (LAJJEL)
  1441   (JSmol)              -339.2    -1018.5       68.8   90.9  Acetonitrile-perfluoroisopropyl-silver (DUJXEL)
  1442   (JSmol)              -404.4     -873.7       76.3   85.7  (Hexafluoroacetylacetonato)-bis(trimethylphosphine)-silver (LEFWIC)
  1443   (JSmol)              -145.0     -511.3       40.1   56.8  (1,1,3,3-Tetraoxo-1,3,2-benzodithiazolido)-acetonitrile-silver(i) (WAKMAW)
  1444   (JSmol)                76.0     -103.5       49.0   90.6  bis(2-Imidazolidinethione-S)-(thiocyanato-S)-silver(i) (SCYNAG01)
  1445   (JSmol)   -30.4       -16.8       23.0       36.7   91.7  Silver(i) chloride (AgCl)
  1446   (JSmol)                 8.2     -251.3       40.2   91.1  bis(chloro-(1,3,4,5-tetramethylimidazol-2-ylidene)-silver(i)) (HEBMIL)
  1447   (JSmol)                 1.5     -198.7       41.2   78.1  chloro-(1,3-bis(adamantyl)imidazol-2-ylidene)-silver(i) (HEBMUX)
  1448   (JSmol)              -102.4     -644.4       70.1   81.5  Aqua-(4-chlorobenzoato-O)-silver(i) (RACZIF)
  1449   (JSmol)                23.1     -381.1       15.6   72.8  di-pyridine-silver(i) perchlorate (NEVRAI)
  1450   (JSmol)               -46.1     -486.4        8.3   45.7  catena-((mu-3-cis,trans-1,3,5-Triaminocyclohexane)-silver(i) perchlorate) (ABIREJ)
  1451   (JSmol)               -11.8     -129.2       16.5   26.4  bis(2-(Aminomethyl)pyridine-N,N')-silver(i) perchlorate (RAWTIT)
  1452   (JSmol)               -32.6       37.3       11.8   23.7  catena(bis(mu-2-Adiponitrile-N,N')-silver(i) perchlorate) (AGPADP)
  1453   (JSmol)              -107.2      230.9       16.8   86.8  Perchlorato-bis(1,4-oxathian)-silver(i) (CIJBIG)
  1454   (JSmol)               -11.7     -196.8       50.6   74.1  Chloro-trithia-9-crown-3-silver(i) (JAVWIM)
  1455   (JSmol)              -270.2    -1038.6       75.5   99.9  Potassium silver carbonate (KAgCO3) (ICSD 1903697)
  1456   (JSmol)              -406.4    -1215.6       37.7   92.1  Hexaoxacyclododecane-di-silver silver tris(hexafluoro-arsenic) (CADXOU)
  1457   (JSmol)              -666.1     -765.5       32.7   53.6  bis(Tetraoxacyclododecane)-silver hexafluoroarsenate (CIJWIB)
  1458   (JSmol)   -24.0        -7.2       34.5       34.9   99.6  Silver(i) bromide (AgBr)
  1459   (JSmol)               113.6     -499.0       51.8   96.6  (mu-2-Propane-1,3-diamine)-dicyano-di-silver(i) (FILSOJ)
  1460   (JSmol)               119.8     -475.8       49.7   62.6  tetrakis(mu-2-1,3,4,6,7,8-Hexahydropyrimido(1,2-a)pyrimidinato)-tetra-silver(i) (UMIFEB)
  1461   (JSmol)              -162.4       34.0       94.7   88.1  Silver(i) oxide (Ag2O) (ICSD 281041)
  1462   (JSmol)  -120.9      -207.7     -800.5       98.4   87.7  Silver carbonate (Ag2CO3)
  1463   (JSmol)  -160.9      -150.5    -1725.4       91.4   99.0  catena((mu-6-Oxalato)-di-silver) (AGOXAL)
  1464   (JSmol)              -148.7    -1070.5       41.8   87.4  (5-Carboxy-1H-imidazole-4-carboxylato)-diammine-silver(i) (DUKMOM)
  1465   (JSmol)              -146.7    -1116.5       43.5   92.0  (mu-2-Hydrogen 1H-imidazole-4,5-dicarboxylate-N,N')-bis(ammine)-di-silver(i) (DUKMOM01)
  1466   (JSmol)              -691.5    -1704.3       63.4   87.1  (Hexafluoroacetylacetonato)-trimethylphosphine-silver (LEFWEY)
  1467   (JSmol)  -171.1      -210.6    -1122.8       78.5   92.8  Silver sulfate (Ag2SO4) (ICSD 27655)
  1468   (JSmol)              -196.1    -1815.7       42.5   99.3  Silver(i) syn-anti-methane-disulfonate (MEDSUL)
  1469   (JSmol)              -250.5    -1049.5       19.7   84.1  (tetrachlorophthalato)-ammine-silver diammine-silver monohydrate (RIVTUM)
  1470   (JSmol)  -174.9      -206.7    -1369.1       30.6   97.5  Silver chromate (Ag2CrO4) (ICSD 160644)
  1471   (JSmol)               -71.2     -303.0       30.0   91.3  Tetramethylammonium catena-((mu-4-bromo)-bis(mu-2-bromo)-di-silver(i)) (FAGGOJ)
  1472   (JSmol)                49.8     -770.3       89.3   96.4  Acetylide-octa-silver hexanitrate (SOVNEW01)
  1563   (JSmol)              -309.3     -334.3       32.2   64.7  Silver hexafluoroantimonate (AgSbF6) (ICSD 411795)
  1638   (JSmol)   -14.8        -2.4       78.1        1.2   83.2  Silver(i) iodide (AgI)
  1639   (JSmol)                -0.6     -661.0       50.4   86.9  Silver iodate (AgIO3) (ICSD 14100)
  1640   (JSmol)                36.7     -913.1       35.1   90.9  Silver periodate (AgIO4)
  1672   (JSmol)               -39.6     -203.0       22.6   71.3  Tetramethylammonium catena(di-iodo-silver(i)) (CEZHEU)
  1759   (JSmol)              -229.9     -466.3       23.6   64.7  18-Crown-6-cesium dicyano-silver(i) (GOKZOV)
  2040   (JSmol)              -132.1    -1712.5       64.3   97.8  Silver tungstate (Ag2WO4) (ICSD 1802521)
  2148   (JSmol)              -272.7     -770.2       28.0   68.2  bis(Diammine-silver(i)) dioxalato-platinum(ii) (TEJKOJ)
  2299   (JSmol)             -4500.4   -29972.9       23.8   84.8  Boleite (KPb26Ag9Cu24Cl62(OH)48)